N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide

C13H18N2O2 — CID 99827590

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide
SMILESC=CCCC(=O)N(C)Cc1cccc(OC)n1
InChIInChI=1S/C13H18N2O2/c1-4-5-9-13(16)15(2)10-11-7-6-8-12(14-11)17-3/h4,6-8H,1,5,9-10H2,2-3H3
InChIKeyQTMLFVUNPVNWHB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.01
Rot. Bonds6

About N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide

N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide (PubChem CID 99827590) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide
PubChem CID99827590
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide
SMILESC=CCCC(=O)N(C)Cc1cccc(OC)n1
InChIInChI=1S/C13H18N2O2/c1-4-5-9-13(16)15(2)10-11-7-6-8-12(14-11)17-3/h4,6-8H,1,5,9-10H2,2-3H3
InChIKeyQTMLFVUNPVNWHB-UHFFFAOYSA-N
XLogP2.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate
CID 63984543
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
CID 63986715
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 63984704
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid
CID 79268653
2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid
CID 63984337
2-ethyl-6-methoxypyridine;formic acid
CID 175480647
(5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
CID 125461920
3-[(6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 63590933
ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide
CID 143295562
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 63985137
2-ethoxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 79018444

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide (CID 99827590) is N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide is C=CCCC(=O)N(C)Cc1cccc(OC)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide?
The InChIKey is QTMLFVUNPVNWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-5-9-13(16)15(2)10-11-7-6-8-12(14-11)17-3/h4,6-8H,1,5,9-10H2,2-3H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide?
N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide has a molecular weight of 234.30 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide is sourced from PubChem (CID 99827590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).